Chem
J-GLOBAL ID：200907036752308343   Nikkaji number：J2.187.367E

1,4-[(Methyleneoxy)[(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-β-D-glucopyranose-4,1-O-diyl)](methylene)]benzene

1,4-[(メチレンオキシ)[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-β-D-グルコピラノース-4,1-O-ジイル)](メチレン)]ベンゼン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C44H68O31
Molecular formula furigana： C44-H68-O31
Molecular weight： 1092.997
InChI： InChI=1S/C44H68O31/c45-5-15-33-21(51)28(58)40(66-15)72-35-17(7-47)68-42(30(60)23(35)53)74-37-19(9-49)70-44(32(62)25(37)55)75-38-20(10-50)69-43(31(61)26(38)56)73-36-18(8-48)67-41(29(59)24(36)54)71-34-16(6-46)65-39(27(57)22(34)52)64-12-14-3-1-13(2-4-14)11-63-33/h1-4,15-62H,5-12H2/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m1/s1
InChI key： AGBUWDOVNNCRHP-QPPFYRDCSA-N
SMILES： OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@@H](OCc8ccc(CO[C@H]1[C@H](O)[C@H]2O)cc8)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Systematic name  (3)：
  • 1,4-[(メチレンオキシ)[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-β-D-グルコピラノース-4,1-O-ジイル)](メチレン)]ベンゼン
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,35R,37R,38R,39R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R)-5,10,15,20,25,37-ヘキサキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,34,36-トリデカオキサオクタシクロ[33.2.2.23,6.28,11.213,16.218,21.223,26.229,32]ヘンペンタコンタ-29,31,40-トリエン-38,39,42,43,44,45,46,47,48,49,50,51-ドデカオール
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,35R,37R,38R,39R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R)-5,10,15,20,25,37-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,34,36-tridecaoxaoctacyclo[33.2.2.23,6.28,11.213,16.218,21.223,26.229,32]henpentaconta-29,31,40-triene-38,39,42,43,44,45,46,47,48,49,50,51-dodecol
Other name (1)：
  • 1,4-[(Methyleneoxy)[(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-β-D-glucopyranose-4,1-O-diyl)](methylene)]benzene
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